[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

C15H23FN2O — CID 65101265

IUPAC[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2C(CN)CCN2C(C)C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)18-7-6-12(9-17)15(18)11-4-5-14(19-3)13(16)8-11/h4-5,8,10,12,15H,6-7,9,17H2,1-3H3
InChIKeyFAGWAMJTFIFSCQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.56
Rot. Bonds4

About [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (PubChem CID 65101265) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
PubChem CID65101265
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2C(CN)CCN2C(C)C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)18-7-6-12(9-17)15(18)11-4-5-14(19-3)13(16)8-11/h4-5,8,10,12,15H,6-7,9,17H2,1-3H3
InChIKeyFAGWAMJTFIFSCQ-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
CID 65101555
2-methoxy-5-[3-(methylaminomethyl)-1-propan-2-ylpyrrolidin-2-yl]benzonitrile
CID 65336360
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 65101170
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
5-(3-amino-1-propan-2-ylazepan-2-yl)-2-methoxybenzonitrile
CID 65341186
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
2-(3-fluoro-4-methoxyphenyl)oxan-4-amine
CID 65101227
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
CID 82621572

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (CID 65101265) is [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is COc1ccc(C2C(CN)CCN2C(C)C)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The InChIKey is FAGWAMJTFIFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)18-7-6-12(9-17)15(18)11-4-5-14(19-3)13(16)8-11/h4-5,8,10,12,15H,6-7,9,17H2,1-3H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine has a molecular weight of 266.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 65101265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).